3-[(5-bromanyl-2-ethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[(5-bromanyl-2-ethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(5-bromo-2-ethoxy-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(5-bromo-2-ethoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(5-bromo-2-ethoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(5-bromo-2-ethoxy-benzyl)ammonio]propyl-diethyl-ammonium Formula: C16H29BrN2O+2 MolecularWeight: 345.31826

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC

InChI

InChI=1S/C16H27BrN2O/c1-4-19(5-2)11-7-10-18-13-14-12-15(17)8-9-16(14)20-6-3/h8-9,12,18H,4-7,10-11,13H2,1-3H3/p+2